1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine

C16H24N2 — CID 134579505

IUPAC1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCN(C3CN(C)C3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-13-3-5-14(6-4-13)15-7-9-18(10-8-15)16-11-17(2)12-16/h3-6,15-16H,7-12H2,1-2H3
InChIKeyMAZRTVMQEIUXCO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.49
Rot. Bonds2

About 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine

1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine (PubChem CID 134579505) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
PubChem CID134579505
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCN(C3CN(C)C3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-13-3-5-14(6-4-13)15-7-9-18(10-8-15)16-11-17(2)12-16/h3-6,15-16H,7-12H2,1-2H3
InChIKeyMAZRTVMQEIUXCO-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine?
The IUPAC name of 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine (CID 134579505) is 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine is Cc1ccc(C2CCN(C3CN(C)C3)CC2)cc1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine?
The InChIKey is MAZRTVMQEIUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-3-5-14(6-4-13)15-7-9-18(10-8-15)16-11-17(2)12-16/h3-6,15-16H,7-12H2,1-2H3.
What are the key properties of 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine?
1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine is sourced from PubChem (CID 134579505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).